N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C18H19N5O2S — CID 121120019

About N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 121120019) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 121120019
• Molecular Formula: C18H19N5O2S
• Molecular Weight: 369.45 g/mol
• Exact Mass: 369.13
• IUPAC Name: N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-n2cccc2)sc1C(=O)NCCn1cnc(C2CC2)cc1=O
• InChI: InChI=1S/C18H19N5O2S/c1-12-16(26-18(21-12)22-7-2-3-8-22)17(25)19-6-9-23-11-20-14(10-15(23)24)13-4-5-13/h2-3,7-8,10-11,13H,4-6,9H2,1H3,(H,19,25)
• InChIKey: DYGYOTCMGPHADZ-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 81.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.45
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 121120019) is N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)NCCn1cnc(C2CC2)cc1=O.

What is the InChIKey of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?

The InChIKey is DYGYOTCMGPHADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-12-16(26-18(21-12)22-7-2-3-8-22)17(25)19-6-9-23-11-20-14(10-15(23)24)13-4-5-13/h2-3,7-8,10-11,13H,4-6,9H2,1H3,(H,19,25).

What are the key properties of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?

N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 121120019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).